2-methylbutane;2H-tetrazole

C6H14N4 — CID 161238291

IUPAC2-methylbutane;2H-tetrazole
SMILESCCC(C)C.c1nn[nH]n1
InChIInChI=1S/C5H12.CH2N4/c1-4-5(2)3;1-2-4-5-3-1/h5H,4H2,1-3H3;1H,(H,2,3,4,5)
InChIKeyUZQUINZZLGZROP-UHFFFAOYSA-N
MW142.21 g/mol
LogP1.25
Rot. Bonds1

About 2-methylbutane;2H-tetrazole

2-methylbutane;2H-tetrazole (PubChem CID 161238291) has the molecular formula C6H14N4 and a molecular weight of 142.21 g/mol. Its IUPAC name is 2-methylbutane;2H-tetrazole.

Molecular Properties

Compound Name2-methylbutane;2H-tetrazole
PubChem CID161238291
Molecular FormulaC6H14N4
Molecular Weight142.21 g/mol
Exact Mass142.12
IUPAC Name2-methylbutane;2H-tetrazole
SMILESCCC(C)C.c1nn[nH]n1
InChIInChI=1S/C5H12.CH2N4/c1-4-5(2)3;1-2-4-5-3-1/h5H,4H2,1-3H3;1H,(H,2,3,4,5)
InChIKeyUZQUINZZLGZROP-UHFFFAOYSA-N
XLogP1.25
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutane;2H-tetrazole?
The IUPAC name of 2-methylbutane;2H-tetrazole (CID 161238291) is 2-methylbutane;2H-tetrazole.
What is the SMILES notation for 2-methylbutane;2H-tetrazole?
The canonical SMILES for 2-methylbutane;2H-tetrazole is CCC(C)C.c1nn[nH]n1.
What is the InChIKey of 2-methylbutane;2H-tetrazole?
The InChIKey is UZQUINZZLGZROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.CH2N4/c1-4-5(2)3;1-2-4-5-3-1/h5H,4H2,1-3H3;1H,(H,2,3,4,5).
What are the key properties of 2-methylbutane;2H-tetrazole?
2-methylbutane;2H-tetrazole has a molecular weight of 142.21 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutane;2H-tetrazole is sourced from PubChem (CID 161238291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).